N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide

C21H20N2O5 — CID 100706732

IUPACN-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)N[C@H](CN1C(=O)COC1=O)c1ccccc1
InChIInChI=1S/C21H20N2O5/c24-18(16-9-5-2-6-10-16)11-12-19(25)22-17(15-7-3-1-4-8-15)13-23-20(26)14-28-21(23)27/h1-10,17H,11-14H2,(H,22,25)/t17-/m1/s1
InChIKeyPSVVYMWLRHTLCS-QGZVFWFLSA-N
MW380.40 g/mol
LogP2.49
Rot. Bonds8

About N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide

N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide (PubChem CID 100706732) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide
PubChem CID100706732
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)N[C@H](CN1C(=O)COC1=O)c1ccccc1
InChIInChI=1S/C21H20N2O5/c24-18(16-9-5-2-6-10-16)11-12-19(25)22-17(15-7-3-1-4-8-15)13-23-20(26)14-28-21(23)27/h1-10,17H,11-14H2,(H,22,25)/t17-/m1/s1
InChIKeyPSVVYMWLRHTLCS-QGZVFWFLSA-N
XLogP2.49
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2,2-diphenylacetamide
CID 100706719
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
3-(3-chlorophenyl)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]propanamide
CID 91630060
2-cyclopentylsulfanyl-N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]acetamide
CID 100706838
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 91630055
(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide
CID 117055084
N-[(1R)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]furan-2-carboxamide
CID 99999145
4-(4-fluorophenyl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-4-oxobutanamide
CID 9148546
N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 91630056
3-[(2R)-2-(dimethylsulfamoylamino)-2-phenylethyl]-2,4-dioxo-1,3-oxazolidine
CID 100707479
4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide
CID 110001369
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-oxo-4-phenylbutanamide
CID 55951268

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide (CID 100706732) is N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)N[C@H](CN1C(=O)COC1=O)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide?
The InChIKey is PSVVYMWLRHTLCS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N2O5/c24-18(16-9-5-2-6-10-16)11-12-19(25)22-17(15-7-3-1-4-8-15)13-23-20(26)14-28-21(23)27/h1-10,17H,11-14H2,(H,22,25)/t17-/m1/s1.
What are the key properties of N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide?
N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide has a molecular weight of 380.40 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 100706732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).